(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid

C18H17NO4 — CID 10757399

IUPAC(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-16(23-12-14-9-5-2-6-10-14)15(18(21)22)19(17)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyGOXFRUIXLUZPHI-HOTGVXAUSA-N
MW311.34 g/mol
LogP2.07
Rot. Bonds6

About (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid

(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid (PubChem CID 10757399) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid
PubChem CID10757399
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C18H17NO4/c20-17-16(23-12-14-9-5-2-6-10-14)15(18(21)22)19(17)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyGOXFRUIXLUZPHI-HOTGVXAUSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-N-benzyloxycarbonyl serine
CID 13817623
benzyl N-benzyl-N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 13817626
[(2R)-2-[(2R,3S)-3-acetyloxy-1-benzyl-4-oxoazetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
CID 390824
2-(3-(Acetyloxy)-1-benzyl-4-oxo-2-azetidinyl)-2-(benzyloxy)ethyl (acetyloxy)acetate
CID 496414
[(2R,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidin-2-yl] formate
CID 10662813
methyl (4R,5R)-5-[benzyl-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11048768
methyl (4R,5R)-5-[benzyl-[(2S)-1-oxo-3-phenylmethoxypropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11812484
tert-butyl (2S)-2-[(3R,4S)-2-oxo-4-phenyl-3-phenylmethoxyazetidin-1-yl]propanoate
CID 13433758
(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carbaldehyde
CID 14971383
[(2R)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1R)-1-phenylethyl]azetidin-2-yl]-2-phenylmethoxyethyl] 2-acetyloxyacetate
CID 15386263
1-Benzyl-3-phenylmethoxyazetidin-2-one
CID 15386384
(4r,5r)-5-[Benzyl-(3-benzyloxy-2-oxo-propyl)-carbamoyl]-2,2-dimethyl-[1,3]dioxolane-4-carboxylic acid methyl ester
CID 129710001

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid?
The IUPAC name of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid (CID 10757399) is (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid?
The canonical SMILES for (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid is O=C(O)[C@@H]1[C@H](OCc2ccccc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid?
The InChIKey is GOXFRUIXLUZPHI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17-16(23-12-14-9-5-2-6-10-14)15(18(21)22)19(17)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid?
(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid is sourced from PubChem (CID 10757399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).